(E,2S)-2-amino-5-phenylpent-4-enoic acid
Formula:C11H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,2S)-2-amino-5-phenylpent-4-enoic acid is a drug-like molecule.
| MolName | (E,2S)-2-amino-5-phenylpent-4-enoic acid |
| MolecularFormula | C11H13NO2 |
| Smiles | N[C@@H](C/C=C/c1ccccc1)C(O)=O |
| InChI | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m0/s1 |
| InChIK | MCGSKGBMVBECNS-JTQLQIEISA-N |
| TotalMolweight | 191.229 |
| Molweight | 191.229 |
| MonoisotopicMass | 191.094629 |
| CLogP | -0.7637 |
| CLogS | -2.216 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 158.64 |
| Relative PSA | 0.26103 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -12.059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (E,2S)-2-amino-5-phenylpent-4-enoic acid | 2 - (E,2S)-2-amino-5-phenylpent-4-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off